SCHEMBL9885775

SCHEMBL9885775

CC(=O)Nc1nnc(S(=O)(=O)NC(=O)C(C)C)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.70
▸ CA2 P00918 4/20 0.70
▸ CA9 Q16790 4/20 0.70
▸ CA4 P22748 3/20 0.70
▸ CA12 O43570 2/20 0.70
▸ CA3 P07451 2/20 0.70
▸ CA6 P23280 2/20 0.70
▸ CA5A P35218 2/20 0.70
▸ CA7 P43166 2/20 0.70
▸ CA13 Q8N1Q1 2/20 0.70
▸ CA14 Q9ULX7 2/20 0.70
▸ CA5B Q9Y2D0 2/20 0.70
▸ KMT2A Q03164 8/20 0.59
▸ MEN1 O00255 7/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ CA11 O75493 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MAPT P10636 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11930741 0.86 CA1 (0.76) CA1CA2CA9CA4CA12
SCHEMBL10797173 0.83 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL11929008 0.82 CA1 (0.69) CA1CA2CA9CA4CA12
SCHEMBL9885783 0.79 MAPT (0.62) CA1CA2CA4CA7KMT2A
SCHEMBL18100211 0.76 CA1 (0.72) CA1CA2CA9CA4CA12
SCHEMBL3501152 0.76 CA1 (0.69) CA1CA2CA9CA4CA12
SCHEMBL13711902 0.76 CA1 (0.69) CA1CA2CA9CA4CA12
SCHEMBL11391297 0.75 CA1 (0.64) CA1CA2CA9CA4CA12
SCHEMBL19937285 0.75 CA1 (0.59) CA1CA2CA9CA4CA12
SCHEMBL6448329 0.75 CA1 (0.59) CA1CA2CA9CA4CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 — — US disclosed
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 — — US disclosed
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 — — US disclosed
US-20150274658-A1 THERAPEUTIC LACTAMS ALLERGAN, INC. (US) 2015-10-01 — — US disclosed
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 — — US disclosed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 — — US disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 — — US disclosed
US-20130005767-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-01-03 — — US disclosed
US-20130005767-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2013-01-03 — — US disclosed
US-8338637-B2 Glaucoma; prostaglandin receptor modulators; cyclopentyl compounds such as 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid ALLERGAN, INC. (US) 2012-12-25 — — US disclosed
US-20080015231-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-01-17 — — US disclosed
US-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists ALLERGAN, INC. 2007-12-20 — — US disclosed
US-20070281981-A1 Glaucoma; 3-substituted pyrrolidine compounds; prostaglandin receptor modulators ALLERGAN, INC. 2007-12-06 — — US disclosed
US-20070281981-A1 Glaucoma; 3-substituted pyrrolidine compounds; prostaglandin receptor modulators ALLERGAN, INC. 2007-12-06 — — US disclosed
US-20070270387-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC 2007-11-22 — — US disclosed
US-20070265321-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-15 — — US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 — — US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 — — US disclosed
US-20070259947-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-08 — — US disclosed
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC. 2007-11-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070281981-A1 Glaucoma; 3-substituted pyrrolidine compounds; prostaglandin receptor modulators PTGIR, PTGIS, PTGS1 CA1 4411/4885CA2 404/4885CA9 3022/4885
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES PTGIS, PTGIR, CYP11B2 CA1 1225/4885CA2 125/4885CA9 720/4885
US-20150274658-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD CA1 3777/4885CA2 3810/4885CA9 1857/4885
US-20070293561-A1 5-{3-[(1S,5S)-5-(3-Chloro-5-hydroxymethyl-phenoxymethyl)-4-oxo-cyclopent-2-enyl]-propyl}-thiophene-2-carboxylic acid; Treating eye diseases including glaucoma or ocular hypertension; selective prostaglandin EP2 agonists PTGIR, PTGIS, PTGER2 CA1 4438/4885CA2 400/4885CA9 2318/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CA1 4344/4885CA2 3900/4885CA9 3681/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 CA1 1222/4885CA2 446/4885CA9 1355/4885
US-20130005767-A1 THERAPEUTIC COMPOUNDS THPO, HLA-C, PIGO CA1 2129/4885CA2 1491/4885CA9 1302/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 CA1 3439/4885CA2 2527/4885CA9 2024/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 CA1 1304/4885CA2 877/4885CA9 489/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CA1 4344/4885CA2 3900/4885CA9 3681/4885
US-20070270387-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ABCB1, CYP11B2, SLC10A1 CA1 357/4885CA2 97/4885CA9 472/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 CA1 3120/4885CA2 2343/4885CA9 1716/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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